N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethyl]methanesulfonamide

C15H25N3O2S — CID 71988900

IUPACN-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethyl]methanesulfonamide
SMILESCN(C)c1cccc(C2CCCN2CCNS(C)(=O)=O)c1
InChIInChI=1S/C15H25N3O2S/c1-17(2)14-7-4-6-13(12-14)15-8-5-10-18(15)11-9-16-21(3,19)20/h4,6-7,12,15-16H,5,8-11H2,1-3H3
InChIKeyWKYQUSDSOPEMJJ-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.44
Rot. Bonds6

About N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethyl]methanesulfonamide

N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethyl]methanesulfonamide (PubChem CID 71988900) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethyl]methanesulfonamide
PubChem CID71988900
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethyl]methanesulfonamide
SMILESCN(C)c1cccc(C2CCCN2CCNS(C)(=O)=O)c1
InChIInChI=1S/C15H25N3O2S/c1-17(2)14-7-4-6-13(12-14)15-8-5-10-18(15)11-9-16-21(3,19)20/h4,6-7,12,15-16H,5,8-11H2,1-3H3
InChIKeyWKYQUSDSOPEMJJ-UHFFFAOYSA-N
XLogP1.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(3-bromophenyl)pyrrolidin-1-yl]propyl]methanesulfonamide
CID 47078002
N-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide
CID 94797205
N-[2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 166256385
N,N-dimethyl-3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-2-yl]aniline
CID 102562664
N,N-dimethyl-3-[(2R)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]aniline
CID 95901092
2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124778955
N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]propane-2-sulfonamide
CID 90609074
N-[2-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]ethyl]methanesulfonamide
CID 95974846
N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]cyclopropanesulfonamide
CID 90609072
N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 90608952
N-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propyl]methanesulfonamide
CID 52504509
N-[3-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]propyl]acetamide
CID 97201640

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethyl]methanesulfonamide (CID 71988900) is N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethyl]methanesulfonamide is CN(C)c1cccc(C2CCCN2CCNS(C)(=O)=O)c1.
What is the InChIKey of N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is WKYQUSDSOPEMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-17(2)14-7-4-6-13(12-14)15-8-5-10-18(15)11-9-16-21(3,19)20/h4,6-7,12,15-16H,5,8-11H2,1-3H3.
What are the key properties of N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethyl]methanesulfonamide?
N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 71988900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).